SCHEMBL5203329

SCHEMBL5203329

CS(=O)(=O)n1cc(Br)c2ccc(N)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
HTR6 P50406 9/20 0.33
TTR P02766 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
HTR1A P08908 1/20 0.30
NSD2 O96028 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
CASP6 P55212 1/20 0.30
PTPN11 Q06124 1/20 0.30
PARP1 P09874 1/20 0.30
CA12 O43570 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5203102 0.82 HTR6 (0.50) L3MBTL1HTR6TTRKDM4EALDH1A1
SCHEMBL1664662 0.79 HTR6 (0.48) HTR6CA1CA2HTR1ACA12
SCHEMBL8054078 0.77 L3MBTL1 (0.33) L3MBTL1HTR6TTRNSD2DUSP3
SCHEMBL8499521 0.76 HTR6 (0.53) L3MBTL1HTR6KDM4E
SCHEMBL5203056 0.76 HTR6 (0.39) L3MBTL1HTR6ALDH1A1MAPTCA1
SCHEMBL27473876 0.74 PRKCI (0.40) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL8503228 0.71 ACLY (0.45) HTR6CA1CA2CA12CA9
SCHEMBL8501447 0.69 HTR6 (0.44) L3MBTL1HTR6KDM4EALDH1A1MAPT
SCHEMBL2357841 0.68 HTR6 (0.56) L3MBTL1HTR6MAPTHTR1A
SCHEMBL1894157 0.66 CA1 (0.54) L3MBTL1HTR6KDM4EMAPTCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
CN-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed